Numerical simulation of multiphase reactors with continuous liquid phase

本书系统介绍了液相反应器和反应结晶器内多相混合、流动、传质和反应过程的数学模型、数值方法及实验技术等基础研究和工程应用的内容，涵盖了反应器和颗粒尺度(固体颗粒、气泡和液滴)上的气—液、液—固、液—液、气—液—固、液—液—固和气—液—液等多相特性。本书除了介绍作者及合作者在这些领域的研究新成果外，也广泛搜集国内外的前沿研究成果，向读者做全景式的介绍。 

本书将为多相流反应器和结晶29(例如搅拌槽、环流反应器和微反应9S)的设计、优化和放大提供基础理论和数值方法，作为在化学反应工程、传质与传热、流体力学、结晶学等领域内的科学家和工程师的一本参考书，特别适合于需要掌握先进的计算流体力学和计箅反应工程学工具、用数学模型和数值模拟方法来研究搅拌槽、环流反应器和微反应器的读者，也可供广大化工和冶金工程师以及高等学校相关专业师生参考。

Preface ix 

CHAPTER 1 Introduction 1 

CHAPTER 2 Fluid fow and mass transfer on particle scale 5 

2 1 Introduction 5 

2 2 Theoretical basis 6 

2 2 1 Fluid mechanics 6 

2 2 2 Mass transfer 7 

2 2 3 Interfacial force balance 8 

2 2 4 Interfacial mass transport 9 

2 3 Numerical methods 10 

2 3 1 Orthogonal boundary-ftted coordinate system 10 

2 3 2 Level set method 15 

2 3 3 Mirror fuid method 21 

2 4 Buoyancy-driven motion and mass transfer 

of a single particle 24 

2 4 1 Drop, bubble and solid particle motion 25 

2 4 2 Mass transfer to/from a drop 34 

2 5 Mass transfer-induced Marangoni effect 37 

2 5 1 Solute-induced Marangoni effect 37 

2 5 2 Effect of surfactant on drop motion and mass transfer 40 

2 5 3 Surfactant-induced Marangoni effect 48 

2 6 Behavior of particle swarms 50 

2 6 1 Introduction 50 

2 6 2 Forces on single particles 52 

2 6 3 Cell model 56 

2 7 Single particles in shear fow and extensional fow 59 

2 7 1 Mass/heat transfer from a spherical particle 

in extensional fow 60 

2 7 2 Flow and transport from a sphere in simple 

shear fow 61 

2 8 Summary and perspective 63 

2 8 1 Summary 63 

2 8 2 Perspective 65 

Nomenclature 67 

References 68 

CHAPTER 3 Multiphase stirred reactors 75 

3 1 Introduction 75 

3 2 Mathematical models and numerical methods 76 

3 2 1 Governing equations 78 

3 2 2 Interphase momentum exchange 78 

3 2 3 RANS method 80 

3 2 4 LES model 86 

3 2 5 Impeller treatment 88 

3 2 6 Numerical details 92 

3 3 Two-phase fow in stirred tanks 96 

3 3 1 Solid–liquid systems 96 

3 3 2 Gas–liquid systems 106 

3 3 3 Liquid–liquid systems 121 

3 4 Three-phase fow in stirred tanks 129 

3 4 1 Liquid–liquid–solid systems 129 

3 4 2 Gas–liquid–liquid systems 133 

3 4 3 Liquid–liquid–liquid systems 134 

3 4 4 Gas–liquid–solid systems 135 

3 5 Summary and perspective 138 

3 5 1 Summary 138 

3 5 2 Perspective 141 

Nomenclature 142 

References 145 

CHAPTER 4 Airlift loop reactors 153 

4 1 Introduction 153 

4 2 Flow regime identifcation 154 

4 3 Mathematical models and numerical methods 157 

4 3 1 Eulerian–Eulerian two-fuid model 158 

4 3 2 Closure of interfacial forces 159 

4 3 3 Closure of turbulence models 181 

4 3 4 Numerical methods 183 

4 4 Hydrodynamics and transport in airlift loop reactors 194 

4 4 1 Hydrodynamic behavior 194 

4 4 2 Interphase transport phenomena 196 

4 5 Macromixing and micromixing 202 

4 5 1 Macromixing in airlift loop reactors 203 

4 5 2 Micromixing in airlift loop reactors 211 

4 6 Guidelines for design and scale-up of airlift loop reactors 214 

4 7 Summary and perspective 217 

Nomenclature 218 

References 220 

CHAPTER 5 Preliminary investigation of two-phase 

microreactors 231 

5 1 Introduction 231 

5 2 Mathematical models and numerical methods 232 

5 3 Simulation using lattice Boltzmann method 236 

5 3 1 Numerical simulation of two-phase fow 

in microchannels 236 

5 3 2 Numerical study of heat transfer in microchannels 240 

5 3 3 Numerical simulation of mass transfer 

in microchannels 241 

5 4 Experimental 246 

5 4 1 Flow pattern 246 

5 4 2 Pressure drop 249 

5 4 3 Mass transfer performance 250 

5 4 4 Micromixing 251 

5 5 Summary and perspective 251 

Nomenclature 253 

References 254 

CHAPTER 6 Crystallizers: CFD–PBE modeling 263 

6 1 Introduction 263 

6 2 Mathematical models and numerical methods 264 

6 2 1 General population balance equation 264 

6 2 2 Standard method of moments 266 

6 2 3 Quadrature method of moments 268 

6 2 4 Multi-class method or discretized method 269 

6 3 Crystallizer modeling procedures 272 

6 3 1 Species transport equations 273 

6 3 2 Nucleation and growth kinetics 273 

6 3 3 Aggregation and breakage kernels 274 

6 3 4 Computational details 276 

6 3 5 Simulated results of precipitation processes 277 

6 4 Macromixing and micromixing 281 

6 5 Summary and perspective 286 

Nomenclature 288 

References 289 

Index 295